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Methyl 3-Bromo-4-(cyanomethyl)benzoate
SpectraBase Compound ID JWghKd0FCj5
InChI InChI=1S/C10H8BrNO2/c1-14-10(13)8-3-2-7(4-5-12)9(11)6-8/h2-3,6H,4H2,1H3
InChIKey ZXLHEWBQVCVVAQ-UHFFFAOYSA-N
Mol Weight 254.08 g/mol
Molecular Formula C10H8BrNO2
Exact Mass 252.973841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8r8gwCjEvaD
Name Methyl 3-Bromo-4-(cyanomethyl)benzoate
Alternate Name(s) Methyl 3-bromanyl-4-(cyanomethyl)benzoate
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Formula C10H8BrNO2
InChI InChI=1S/C10H8BrNO2/c1-14-10(13)8-3-2-7(4-5-12)9(11)6-8/h2-3,6H,4H2,1H3
InChIKey ZXLHEWBQVCVVAQ-UHFFFAOYSA-N
Molecular Weight 254.083 g/mol
SMILES C(c1cc(Br)c(cc1)CC#N)(=O)OC
SPLASH splash10-00di-0290000000-1f15bdaf8775b8d7a181
Source of Spectrum U1-2009-231-e
Wiley ID 1710619